Advanced Materials Search¶
The steps for performing advanced searche for Materials are illustrated in the animation below.
We use the advanced search query builder to construct a query that filters the large dataset of materials (over 4000 entries) according to the formula ("Al"), unit cell volume (less than "80" in cubic Angstroms) and tags containing a certain keyword ("high pressure").
The following materials keywords are available.
Generic keywords present for all materials are described below. These can also be referred to as descriptive properties.
|name||Name of the Material|
|formula||Chemical formula, for example "CaTiO3"|
|latticeType||The Bravais lattice type of the crystal structure under consideration|
|model||The theoretical model employed to calculate the materials properties|
|method||The computational method implementing the above model|
|spaceGroupSymbol||The space group symbol describing the symmetry elements present in the crystal structure, e.g. "Fd-3m"|
|volume||The volume of the unit cell of the structure, in units of angstrom^3|
|density||The density of the crystal structure, in units of g/cm^3|
|owner||The Account name which owns the material under consideration|
|tags||Descriptive metadata tags added to the material entry by the user|
|pressure||External pressure in kbar|
|total_energy||Total internal energy of the system in eV|
|band_gaps:direct||The direct band gap in eV|
|band_gaps:indirect||The indirect band gap in eV|
|band_structure||The availability of electronic bandstructure data (boolean)|
|density_of_states||The availability of electronic density of states data (boolean)|